SCHEMBL22790995

SCHEMBL22790995

CCOCC(=O)NCCCOc1ccc(-c2cc(C(F)(F)F)nn2C)c(O)c1-c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR2A P28223 1/20 0.34
NOTUM Q6P988 1/20 0.33
COMT P21964 1/20 0.33
BRAF P15056 1/20 0.33
GCG P01275 1/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21786509 0.87 AAK1 (0.36) NOTUMCOMTBRAFATMCA1
SCHEMBL22791223 0.85 HTR2A (0.34) ALDH1A1MAPTHPGDHTR2AGCG
SCHEMBL21786435 0.83 COMT (0.37) HTR2ANOTUMCOMT
SCHEMBL22791124 0.83 CARM1 (0.32) ALDH1A1HPGDKDM4EHTR2ANOTUM
SCHEMBL27364374 0.82 RARA (0.37) NOTUMCOMT
SCHEMBL22791165 0.82 COMT (0.37) ALDH1A1KDM4EHTR2ANOTUMCOMT
SCHEMBL22790953 0.81 PPARD (0.34) COMTGCGHDAC3HDAC4HDAC1
SCHEMBL22791180 0.81 COMT (0.36) KDM4ENOTUMCOMT
SCHEMBL22787056 0.80 COMT (0.34) HTR2ANOTUMCOMT
SCHEMBL22787017 0.80 COMT (0.34) HTR2ANOTUMCOMT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 ALDH1A1 3133/4885MAPT 3689/4885HPGD 2582/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.